1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol

C10H13NO5S — CID 106670534

IUPAC1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1cccc(O)c1)N1CC(O)C(O)C1
InChIInChI=1S/C10H13NO5S/c12-7-2-1-3-8(4-7)17(15,16)11-5-9(13)10(14)6-11/h1-4,9-10,12-14H,5-6H2
InChIKeyIRBVPHHVPAAYAS-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.88
Rot. Bonds2

About 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol

1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol (PubChem CID 106670534) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
PubChem CID106670534
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
SMILESO=S(=O)(c1cccc(O)c1)N1CC(O)C(O)C1
InChIInChI=1S/C10H13NO5S/c12-7-2-1-3-8(4-7)17(15,16)11-5-9(13)10(14)6-11/h1-4,9-10,12-14H,5-6H2
InChIKeyIRBVPHHVPAAYAS-UHFFFAOYSA-N
XLogP-0.88
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol (CID 106670534) is 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol is O=S(=O)(c1cccc(O)c1)N1CC(O)C(O)C1.
What is the InChIKey of 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol?
The InChIKey is IRBVPHHVPAAYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c12-7-2-1-3-8(4-7)17(15,16)11-5-9(13)10(14)6-11/h1-4,9-10,12-14H,5-6H2.
What are the key properties of 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol?
1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol has a molecular weight of 259.28 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 106670534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).